N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C21H20F4N4O2 — CID 155448915

IUPACN-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1c(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(C3CCCCC3)nc2c1F
InChIInChI=1S/C21H20F4N4O2/c1-31-19-15(27-20(30)14-8-5-9-16(26-14)21(23,24)25)10-12-11-29(28-18(12)17(19)22)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,27,30)
InChIKeyWCXYLNKDUQUTMM-UHFFFAOYSA-N
MW436.41 g/mol
LogP5.36
Rot. Bonds4

About N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155448915) has the molecular formula C21H20F4N4O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155448915
Molecular FormulaC21H20F4N4O2
Molecular Weight436.41 g/mol
Exact Mass436.15
IUPAC NameN-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1c(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(C3CCCCC3)nc2c1F
InChIInChI=1S/C21H20F4N4O2/c1-31-19-15(27-20(30)14-8-5-9-16(26-14)21(23,24)25)10-12-11-29(28-18(12)17(19)22)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,27,30)
InChIKeyWCXYLNKDUQUTMM-UHFFFAOYSA-N
XLogP5.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.41
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588
N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156302
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327
N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448667
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163400019
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155448915) is N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is COc1c(NC(=O)c2cccc(C(F)(F)F)n2)cc2cn(C3CCCCC3)nc2c1F.
What is the InChIKey of N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is WCXYLNKDUQUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O2/c1-31-19-15(27-20(30)14-8-5-9-16(26-14)21(23,24)25)10-12-11-29(28-18(12)17(19)22)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,27,30).
What are the key properties of N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155448915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).